input word = C00063759

Metabolite InformationStructural formula
Name Sennoside B
Formula C42H38O20
Mw 862.19564366
CAS RN 128-57-4
C_ID C00063759
InChIKey IPQVTOJGNYVQEO-AIFLABODSA-N
InChICode InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
SMILES O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex acetosa Ref.
PlantaePolygonaceaeRumex acetosella Ref.
PlantaePolygonaceaeRumex confertus Ref.
PlantaePolygonaceaeRumex crispus Ref.
PlantaePolygonaceaeRumex hydrolapathum Ref.
PlantaePolygonaceaeRumex obtusifolius Ref.
zoom in